SCHEMBL7045834

SCHEMBL7045834

COC(=O)[C@@H](C)COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MMP3 P08254 2/20 0.51
MMP2 P08253 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
LMNA P02545 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12384285 0.90 MTNR1A (0.58) MAPTRAB9AMTNR1AMTNR1BLMNA
SCHEMBL8667454 0.85 MAPT (0.58) MAPTSMN1; SMN2MMP3MMP2NPC1
SCHEMBL7042806 0.85 MAPT (0.58) MAPTSMN1; SMN2MMP3MMP2NPC1
SCHEMBL7744437 0.85 MMP2 (0.44) MAPTSMN1; SMN2MMP3MMP2MTNR1A
SCHEMBL22651641 0.83 ALDH1A1 (0.51) MAPTSMN1; SMN2MMP3MMP2MTNR1A
SCHEMBL7046092 0.83 MMP3 (0.72) MAPTSMN1; SMN2MMP3MMP2NPC1
SCHEMBL8658682 0.83 MMP3 (0.72) MAPTSMN1; SMN2MMP3MMP2NPC1
SCHEMBL7749771 0.81 MAPT (0.51) MAPTSMN1; SMN2MMP3MMP2GAA
SCHEMBL3717529 0.78 LOXL2 (0.51) MMP3MMP2LMNACYP1A2GAA
SCHEMBL11780675 0.78 ALDH1A1 (0.50) MAPTSMN1; SMN2MMP3MMP2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed